[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [(1S)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H16BrF2NO3 MolecularWeight: 412.225346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)F)Br

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)F)Br

InChI

InChI=1S/C18H16BrF2NO3/c1-11(25-18(24)15-10-14(21)6-7-16(15)19)17(23)22-9-8-12-2-4-13(20)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,22,23)/t11-/m0/s1